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(S)-5'-bromo-2'-phenylspiro[cyclohexane-1,3'-indoline]
SpectraBase Compound ID 4L0DfwDp36o
InChI InChI=1S/C19H20BrN/c20-15-9-10-17-16(13-15)19(11-5-2-6-12-19)18(21-17)14-7-3-1-4-8-14/h1,3-4,7-10,13,18,21H,2,5-6,11-12H2/t18-/m0/s1
InChIKey BPMQCOZUVLBIFU-SFHVURJKSA-N
Mol Weight 342.28 g/mol
Molecular Formula C19H20BrN
Exact Mass 341.077913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjF6Sy33nuF
Name (S)-5'-bromo-2'-phenylspiro[cyclohexane-1,3'-indoline]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20BrN
InChI InChI=1S/C19H20BrN/c20-15-9-10-17-16(13-15)19(11-5-2-6-12-19)18(21-17)14-7-3-1-4-8-14/h1,3-4,7-10,13,18,21H,2,5-6,11-12H2/t18-/m0/s1
InChIKey BPMQCOZUVLBIFU-SFHVURJKSA-N
Instrument Name Finnigan MET SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201605450
Molecular Weight 342.280 g/mol
Optical Rotation [a]D22 = -149.1 (c = 1.0, MeOH)
Quality 285
SMILES N1C=2C=CC(=CC2C2([C@@]1(C1=CC=CC=C1)[H])CCCCC2)Br
SPLASH splash10-056x-9411000000-82187dbdfa23ac736bb9
Sample Comments 95% ee
Source of Spectrum QE-23-SM5-3h (DOI: 10.1002/chem.201605450)
Wiley ID 1903825